2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide

C10H16N2O2 — CID 102442932

IUPAC2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)(C)NC(=O)C=C
InChIInChI=1S/C10H16N2O2/c1-5-7-11-9(14)10(3,4)12-8(13)6-2/h5-6H,1-2,7H2,3-4H3,(H,11,14)(H,12,13)
InChIKeySFAXSYDEEIRZRG-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.37
Rot. Bonds5

About 2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide

2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide (PubChem CID 102442932) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide
PubChem CID102442932
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)(C)NC(=O)C=C
InChIInChI=1S/C10H16N2O2/c1-5-7-11-9(14)10(3,4)12-8(13)6-2/h5-6H,1-2,7H2,3-4H3,(H,11,14)(H,12,13)
InChIKeySFAXSYDEEIRZRG-UHFFFAOYSA-N
XLogP0.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-heptyl-2-methyl-2-(prop-2-enoylamino)propanamide
CID 134339729
ethane;N-prop-2-enylprop-2-enamide
CID 142535548
2-hydroxy-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]butanoic acid
CID 134329092
sodium;hydride;4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]butanoic acid
CID 175046256
N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide
CID 21274347
2-methyl-2-(prop-2-enoylamino)propanoate
CID 19018280
ethenol;N-prop-2-enylprop-2-enamide
CID 88846304
10-methyl-9-oxo-10-(prop-2-enoylamino)undecanoic acid
CID 159095160
N-(2-methyl-3,9-dioxodecan-2-yl)prop-2-enamide
CID 153102951
N-prop-2-enyl-2,2-bis(trifluoromethyl)butanamide
CID 71671966
2-tert-butyl-2,4,4-trimethyl-N-prop-2-enylpentanamide
CID 156569078
2,2,4-trimethyl-N-prop-2-enylpentanamide
CID 166713850

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide?
The IUPAC name of 2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide (CID 102442932) is 2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)(C)NC(=O)C=C.
What is the InChIKey of 2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide?
The InChIKey is SFAXSYDEEIRZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5-7-11-9(14)10(3,4)12-8(13)6-2/h5-6H,1-2,7H2,3-4H3,(H,11,14)(H,12,13).
What are the key properties of 2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide?
2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide has a molecular weight of 196.25 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 102442932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).